CID 6481572

[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetonitrile

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC#N)CO)O
InChI
InChI=1S/C11H13N3O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
PPLPDOSNBUMREL-DJLDLDEBSA-N
Compound name
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.0855 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.092776 154.6
[M+Na]+ 290.074718 164.9
[M-H]- 266.078224 154.9
[M+NH4]+ 285.119323 165.4
[M+K]+ 306.048658 161.5
[M+H-H2O]+ 250.082760 140.5
[M+HCOO]- 312.083701 167.7
[M+CH3COO]- 326.099351 200.0
[M+Na-2H]- 288.060166 155.5
[M]+ 267.08495142 148.9
[M]- 267.08604858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.